Geometry & MOs

Info

ID:	49249
PubChem CID:	11532344
Reduced:	ClNO3C26H34 (1)
Stoich.:	ABC3D26E34 (1)
Weight, g/mol:	443.083718
ΔH_f, kcal/mol:	-129.57
Dipole, Da:	3.58
IP(EA), eV:	-9.3(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1-butanoylpiperidin-3-yl)methylsulfanyl]-5,6-dichlorobenzimidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.CNC1(CCCCC1=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations